SCHEMBL31599174

SCHEMBL31599174

C#CC(=O)c1ccc(Oc2cccc(C(=O)C#C)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.58
TNKS O95271 1/20 0.58
PARP15 Q460N3 1/20 0.58
PARP14 Q460N5 1/20 0.58
TNKS2 Q9H2K2 1/20 0.58
PARP2 Q9UGN5 1/20 0.58
AKR1C3 P42330 1/20 0.54
HDAC8 Q9BY41 1/20 0.49
KDM4E B2RXH2 1/20 0.47
KMO O15229 1/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
FURIN P09958 1/20 0.45
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.43
NR1H4 Q96RI1 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20565887 0.86 PARP10 (0.58) PARP10AKR1C3ERCC5FEN1NPC1
SCHEMBL31599166 0.86 PARP10 (0.52) PARP10TNKSPARP15PARP14TNKS2
SCHEMBL31599167 0.86 PARP10 (0.52) PARP10TNKSPARP15PARP14TNKS2
SCHEMBL12045720 0.83 L3MBTL1 (0.52) PARP10F2F10RAB9APKM
SCHEMBL17244237 0.79 CES2 (0.65) KDM4ENPC1RAB9APKMNPSR1
SCHEMBL12045722 0.78 KMT2A (0.53)
SCHEMBL12045718 0.78 NR4A2 (0.45) NPC1RAB9ASRD5A2
SCHEMBL31599171 0.78 L3MBTL1 (0.46) HDAC8KMOFURINCYP2C9PKM
SCHEMBL31599169 0.77 PARP10 (0.47) PARP10PARP15PARP14RAB9ASRD5A2
SCHEMBL9162725 0.76 AKR1C3 (0.68) PARP10TNKSPARP15PARP14TNKS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025110215-A1 CURABLE COMPOSITION, COMPOUND, HEAT-RESISTANT RESIN MATERIAL, ADHESIVE, SEALING MATERIAL, POTTING AGENT, ENCAPSULANT, CARBON MATERIAL, AND PREPREG セメダイン株式会社 2025-05-30 WO disclosed